Geometry & MOs

Info

ID:	65222
PubChem CID:	29204633
Reduced:	ClN2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	473.048205
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	2.96
IP(EA), eV:	-8.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations